{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.80447 0.608941 0.051232 ] [ 0.391059 0.19553 0.051232 ] [ 0.541994 0.083987 0.75 ] [ 0.083987 0.541994 0.25 ] [ 0.458006 0.541994 0.25 ] [ 0.541994 0.458006 0.75 ] [ 0.916013 0.458006 0.75 ] [ 0.458006 0.916013 0.25 ] [ 0.80447 0.19553 0.051232 ] [ 0.19553 0.80447 0.551232 ] [ 0.19553 0.391059 0.948768 ] [ 0.608941 0.80447 0.551232 ] [ 0.19553 0.391059 0.551232 ] [ 0.391059 0.19553 0.448768 ] [ 0.80447 0.19553 0.448768 ] [ 0.19553 0.80447 0.948768 ] [ 0.608941 0.80447 0.948768 ] [ 0.80447 0.608941 0.448768 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.103874 0.207747 0.25 ] [ 0.207747 0.103874 0.75 ] [ 0.896126 0.103874 0.75 ] [ 0.103874 0.896126 0.25 ] [ 0.792253 0.896126 0.25 ] [ 0.896126 0.792253 0.75 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "V" "V" "V" "V" "V" "V" "V" "V" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 8.65631967 "source-unit" "angstrom" } "c" { "source-value" 8.53839633 "source-unit" "angstrom" } }